N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide

C25H23N3O5 — CID 172645878

IUPACN-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(N(C(C)=O)C(C)=O)c2C#N)cc1
InChIInChI=1S/C25H23N3O5/c1-15(29)28(16(2)30)25-22(14-26)21(17-6-8-18(31-3)9-7-17)13-23(27-25)20-11-10-19(32-4)12-24(20)33-5/h6-13H,1-5H3
InChIKeyWFIVZJPLVAKPIA-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.21
Rot. Bonds6

About N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide

N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide (PubChem CID 172645878) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide
PubChem CID172645878
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(N(C(C)=O)C(C)=O)c2C#N)cc1
InChIInChI=1S/C25H23N3O5/c1-15(29)28(16(2)30)25-22(14-26)21(17-6-8-18(31-3)9-7-17)13-23(27-25)20-11-10-19(32-4)12-24(20)33-5/h6-13H,1-5H3
InChIKeyWFIVZJPLVAKPIA-UHFFFAOYSA-N
XLogP4.21
TPSA101.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide (CID 172645878) is N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide is COc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(N(C(C)=O)C(C)=O)c2C#N)cc1.
What is the InChIKey of N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide?
The InChIKey is WFIVZJPLVAKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15(29)28(16(2)30)25-22(14-26)21(17-6-8-18(31-3)9-7-17)13-23(27-25)20-11-10-19(32-4)12-24(20)33-5/h6-13H,1-5H3.
What are the key properties of N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide?
N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 172645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).